3-amino-3-(5-methylfuran-2-yl)propanenitrile

C8H10N2O — CID 55292038

IUPAC3-amino-3-(5-methylfuran-2-yl)propanenitrile
SMILESCc1ccc(C(N)CC#N)o1
InChIInChI=1S/C8H10N2O/c1-6-2-3-8(11-6)7(10)4-5-9/h2-3,7H,4,10H2,1H3
InChIKeyUHKXDPJZLVNQQN-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.50
Rot. Bonds2

About 3-amino-3-(5-methylfuran-2-yl)propanenitrile

3-amino-3-(5-methylfuran-2-yl)propanenitrile (PubChem CID 55292038) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-amino-3-(5-methylfuran-2-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(5-methylfuran-2-yl)propanenitrile
PubChem CID55292038
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-amino-3-(5-methylfuran-2-yl)propanenitrile
SMILESCc1ccc(C(N)CC#N)o1
InChIInChI=1S/C8H10N2O/c1-6-2-3-8(11-6)7(10)4-5-9/h2-3,7H,4,10H2,1H3
InChIKeyUHKXDPJZLVNQQN-UHFFFAOYSA-N
XLogP1.50
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
CID 130956865
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
CID 114874408
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
2-(5-methylfuran-2-yl)propanenitrile
CID 43316778
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-methylfuran-2-yl)propanenitrile?
The IUPAC name of 3-amino-3-(5-methylfuran-2-yl)propanenitrile (CID 55292038) is 3-amino-3-(5-methylfuran-2-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(5-methylfuran-2-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(5-methylfuran-2-yl)propanenitrile is Cc1ccc(C(N)CC#N)o1.
What is the InChIKey of 3-amino-3-(5-methylfuran-2-yl)propanenitrile?
The InChIKey is UHKXDPJZLVNQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-2-3-8(11-6)7(10)4-5-9/h2-3,7H,4,10H2,1H3.
What are the key properties of 3-amino-3-(5-methylfuran-2-yl)propanenitrile?
3-amino-3-(5-methylfuran-2-yl)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-methylfuran-2-yl)propanenitrile is sourced from PubChem (CID 55292038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).